1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C23H20F3NO4 — CID 46871265

IUPAC1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C23H20F3NO4/c24-23(25,26)17-7-4-15(5-8-17)20(28)16-6-9-19-18(12-16)22(30-10-1-11-31-22)21(29)27(19)13-14-2-3-14/h4-9,12,14H,1-3,10-11,13H2
InChIKeyRHSSSWMZTWTSDB-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.28
Rot. Bonds4

About 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 46871265) has the molecular formula C23H20F3NO4 and a molecular weight of 431.41 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID46871265
Molecular FormulaC23H20F3NO4
Molecular Weight431.41 g/mol
Exact Mass431.13
IUPAC Name1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C23H20F3NO4/c24-23(25,26)17-7-4-15(5-8-17)20(28)16-6-9-19-18(12-16)22(30-10-1-11-31-22)21(29)27(19)13-14-2-3-14/h4-9,12,14H,1-3,10-11,13H2
InChIKeyRHSSSWMZTWTSDB-UHFFFAOYSA-N
XLogP4.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 46871265) is 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is RHSSSWMZTWTSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO4/c24-23(25,26)17-7-4-15(5-8-17)20(28)16-6-9-19-18(12-16)22(30-10-1-11-31-22)21(29)27(19)13-14-2-3-14/h4-9,12,14H,1-3,10-11,13H2.
What are the key properties of 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 431.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-[4-(trifluoromethyl)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 46871265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).